{"id":"W2039754775","doi":"10.1021/ja021452+","title":"Side Chain Assignments of Ile δ1 Methyl Groups in High Molecular Weight Proteins:  an Application to a 46 ns Tumbling Molecule","year":2003,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Protonation; Molecule; Chemical shift; Side chain; Stereochemistry; Pulse sequence; Spectral line; Crystallography; Ion; Physical chemistry; Nuclear magnetic resonance; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003666219,0.0002680526,0.0002228515,0.0001036983,0.0002713413,0.0001826172,0.0002855174,0.0003677532,0.0007416122],"category_scores_gemma":[0.0003624473,0.0001425405,0.00008972835,0.00019525,0.0003851018,0.0001809996,0.0003030251,0.0006413152,0.0001610337],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002278008,"about_ca_system_score_gemma":0.0002766138,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008457901,"about_ca_topic_score_gemma":0.0009939711,"domain_scores_codex":[0.9998899,0.00003378409,0.000003319383,0.00002454006,0.00003339008,0.00001512738],"domain_scores_gemma":[0.9996902,0.00008730526,0.0000652703,0.00005345457,0.00003997824,0.00006381891],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0000983002,0.000007700018,0.00009115878,0.00001644879,0.00000160878,0.00003055584,0.00002861919,0.0001217839,0.9973108,0.00004791254,0.00001971688,0.002225437],"study_design_scores_gemma":[0.00001307372,0.0002135306,0.001192934,0.000002163474,0.000004165252,0.0001947111,0.00001377217,0.001769687,0.995924,0.00002980415,0.000635763,0.000006430575],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9785448,0.000374663,0.01981905,0.0001264651,0.00001453639,0.00004119267,0.00007648333,0.0001856245,0.000817163],"genre_scores_gemma":[0.9330318,0.0006450868,0.06445454,0.00008554757,0.00001758756,0.00005802094,0.0001593975,0.0000483046,0.001499793],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008457901,"threshold_uncertainty_score":0.002480924,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00395263480328175,"score_gpt":0.2406898288562137,"score_spread":0.2367371940529319,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}